N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide

C23H35N3O3 — CID 42713415

IUPACN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
SMILESCCCCCC(=O)N(CCC)C(CC)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C23H35N3O3/c1-5-8-9-14-21(27)25(15-6-2)20(7-3)22-24-19-13-11-10-12-18(19)23(28)26(22)16-17-29-4/h10-13,20H,5-9,14-17H2,1-4H3
InChIKeyRJYNYALSTOJYNP-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.31
Rot. Bonds12

About N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide

N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide (PubChem CID 42713415) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
PubChem CID42713415
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC NameN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
SMILESCCCCCC(=O)N(CCC)C(CC)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C23H35N3O3/c1-5-8-9-14-21(27)25(15-6-2)20(7-3)22-24-19-13-11-10-12-18(19)23(28)26(22)16-17-29-4/h10-13,20H,5-9,14-17H2,1-4H3
InChIKeyRJYNYALSTOJYNP-UHFFFAOYSA-N
XLogP4.31
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42713390
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
CID 42712059
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
CID 42713720
N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 42712034
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]pentanamide
CID 42713712
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide
CID 42727609
N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 3647553
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide
CID 42717635
N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]butanamide
CID 42727625
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)pentanamide
CID 42716734
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2-phenylmethoxyacetamide
CID 42728200
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide
CID 42727606

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide?
The IUPAC name of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide (CID 42713415) is N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide.
What is the SMILES notation for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide?
The canonical SMILES for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide is CCCCCC(=O)N(CCC)C(CC)c1nc2ccccc2c(=O)n1CCOC.
What is the InChIKey of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide?
The InChIKey is RJYNYALSTOJYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-5-8-9-14-21(27)25(15-6-2)20(7-3)22-24-19-13-11-10-12-18(19)23(28)26(22)16-17-29-4/h10-13,20H,5-9,14-17H2,1-4H3.
What are the key properties of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide?
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide has a molecular weight of 401.55 g/mol, XLogP of 4.31, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide is sourced from PubChem (CID 42713415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).